3-Benzyl-4-bromothiophene
TL;DR: 3-Benzyl-4-bromothiophene (CAS 31926-69-9) is a chemical compound with molecular formula C11H9BrS and molecular weight 251.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-bromothiophene
Also Known As: 3-benzyl-4-bromothiophene
| Molecular Formula | C11H9BrS |
|---|---|
| Molecular Weight | 251.96 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.96083 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 31926-69-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CSC=C2Br |
| InChIKey | MQKFCLRJEWOFKS-UHFFFAOYSA-N |
Product Overview
3-Benzyl-4-bromothiophene (CAS 31926-69-9), with molecular formula C11H9BrS and molecular weight 251.96 g/mol. IUPAC: 3-benzyl-4-bromothiophene.
Chemical Property Profile of 3-Benzyl-4-bromothiophene
Property Insights of 3-Benzyl-4-bromothiophene
The XLogP value of 4.2 indicates that 3-Benzyl-4-bromothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3-Benzyl-4-bromothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-4-bromothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-4-bromothiophene?
The CAS number of 3-Benzyl-4-bromothiophene is 31926-69-9.
What is the molecular formula of 3-Benzyl-4-bromothiophene?
The molecular formula of 3-Benzyl-4-bromothiophene is C11H9BrS.
What is the molecular weight of 3-Benzyl-4-bromothiophene?
The molecular weight of 3-Benzyl-4-bromothiophene is 251.96 g/mol.
Where can I buy 3-Benzyl-4-bromothiophene?
You can request a quote for 3-Benzyl-4-bromothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-4-bromothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-4-bromothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.